Chem
J-GLOBAL ID：200907045335831024   Nikkaji number：J2.314.829C

2-[(R)-α-(tert-Butoxycarbonylamino)-4-methylbenzyl]malonic acid dimethyl ester

2-[(R)-α-(tert-ブトキシカルボニルアミノ)-4-メチルベンジル]マロン酸ジメチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H25NO6
Molecular formula furigana： C18-H25-N-O6
Molecular weight： 351.399
InChI： InChI=1S/C18H25NO6/c1-11-7-9-12(10-8-11)14(19-17(22)25-18(2,3)4)13(15(20)23-5)16(21)24-6/h7-10,13-14H,1-6H3,(H,19,22)/t14-/m0/s1
InChI key： QROQVFDRMXJCAL-AWEZNQCLSA-N
SMILES： COC(=O)C([C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)C(=O)OC
Systematic name  (4)：
  • 2-[(R)-α-(tert-ブトキシカルボニルアミノ)-4-メチルベンジル]マロン酸ジメチル
  • [(R)-α-[(tert-ブチルオキシカルボニル)アミノ]-4-メチルベンジル]マロン酸ジメチル
  • 1,3-ジメチル 2-[(R)-{[(tert-ブトキシ)カルボニル]アミノ}(4-メチルフェニル)メチル]プロパンジオアート
  • 1,3-dimethyl 2-[(R)-{[(tert-butoxy)carbonyl]amino}(4-methylphenyl)methyl]propanedioate
Other name (2)：
  • 2-[(R)-α-(tert-Butoxycarbonylamino)-4-methylbenzyl]malonic acid dimethyl ester
  • [(R)-α-[(tert-Butyloxycarbonyl)amino]-4-methylbenzyl]malonic acid dimethyl ester
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